N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine

C15H14FNOS — CID 114838892

IUPACN-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCOc1cc(NC2CSc3ccccc32)ccc1F
InChIInChI=1S/C15H14FNOS/c1-18-14-8-10(6-7-12(14)16)17-13-9-19-15-5-3-2-4-11(13)15/h2-8,13,17H,9H2,1H3
InChIKeyIGFJIYOXDDQKGD-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.09
Rot. Bonds3

About N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine

N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 114838892) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID114838892
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCOc1cc(NC2CSc3ccccc32)ccc1F
InChIInChI=1S/C15H14FNOS/c1-18-14-8-10(6-7-12(14)16)17-13-9-19-15-5-3-2-4-11(13)15/h2-8,13,17H,9H2,1H3
InChIKeyIGFJIYOXDDQKGD-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine (CID 114838892) is N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine is COc1cc(NC2CSc3ccccc32)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is IGFJIYOXDDQKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-18-14-8-10(6-7-12(14)16)17-13-9-19-15-5-3-2-4-11(13)15/h2-8,13,17H,9H2,1H3.
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine?
N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 275.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 114838892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).